ethyl 2-(3,4-dimethylphenyl)-2-(propylamino)acetate

C15H23NO2 — CID 60797038

IUPACethyl 2-(3,4-dimethylphenyl)-2-(propylamino)acetate
SMILESCCCNC(C(=O)OCC)c1ccc(C)c(C)c1
InChIInChI=1S/C15H23NO2/c1-5-9-16-14(15(17)18-6-2)13-8-7-11(3)12(4)10-13/h7-8,10,14,16H,5-6,9H2,1-4H3
InChIKeyWBVKAOGYDSRETR-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.91
Rot. Bonds6

About ethyl 2-(3,4-dimethylphenyl)-2-(propylamino)acetate

ethyl 2-(3,4-dimethylphenyl)-2-(propylamino)acetate (PubChem CID 60797038) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is ethyl 2-(3,4-dimethylphenyl)-2-(propylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(3,4-dimethylphenyl)-2-(propylamino)acetate
PubChem CID60797038
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nameethyl 2-(3,4-dimethylphenyl)-2-(propylamino)acetate
SMILESCCCNC(C(=O)OCC)c1ccc(C)c(C)c1
InChIInChI=1S/C15H23NO2/c1-5-9-16-14(15(17)18-6-2)13-8-7-11(3)12(4)10-13/h7-8,10,14,16H,5-6,9H2,1-4H3
InChIKeyWBVKAOGYDSRETR-UHFFFAOYSA-N
XLogP2.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetate
CID 62121338
ethyl 2-(3,4-dimethylphenyl)-2-(prop-2-enylamino)acetate
CID 62352914
ethyl 2-(4-methoxyphenyl)-2-(propylamino)acetate
CID 60795637
ethyl 2-(3-ethoxyphenyl)-2-(propylamino)acetate
CID 60874093
ethyl 2-(3-fluoro-4-methylphenyl)-2-(prop-2-ynylamino)acetate
CID 63648457
3-(3,4-dimethylphenyl)-3-(propylamino)propanamide
CID 65235384
2-(4-bromo-3-methylphenyl)-2-(propylamino)acetic acid
CID 66480181
ethyl 2-(3,4-dimethylphenyl)-2-sulfanylacetate
CID 57237748
methyl 3-(3,4-dimethylphenyl)-3-(propylamino)propanoate
CID 65235819
ethyl 2-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetate
CID 65096691
ethyl 2-(3,4-dimethylphenyl)pentanoate
CID 83043344
ethyl (2S)-2-(3,4-dimethylanilino)-2-(4-methylphenyl)acetate
CID 135028793

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,4-dimethylphenyl)-2-(propylamino)acetate?
The IUPAC name of ethyl 2-(3,4-dimethylphenyl)-2-(propylamino)acetate (CID 60797038) is ethyl 2-(3,4-dimethylphenyl)-2-(propylamino)acetate.
What is the SMILES notation for ethyl 2-(3,4-dimethylphenyl)-2-(propylamino)acetate?
The canonical SMILES for ethyl 2-(3,4-dimethylphenyl)-2-(propylamino)acetate is CCCNC(C(=O)OCC)c1ccc(C)c(C)c1.
What is the InChIKey of ethyl 2-(3,4-dimethylphenyl)-2-(propylamino)acetate?
The InChIKey is WBVKAOGYDSRETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-9-16-14(15(17)18-6-2)13-8-7-11(3)12(4)10-13/h7-8,10,14,16H,5-6,9H2,1-4H3.
What are the key properties of ethyl 2-(3,4-dimethylphenyl)-2-(propylamino)acetate?
ethyl 2-(3,4-dimethylphenyl)-2-(propylamino)acetate has a molecular weight of 249.35 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,4-dimethylphenyl)-2-(propylamino)acetate is sourced from PubChem (CID 60797038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).